Mechanism of the Iron(0)-Catalyzed Hydrosilylation of Aldehydes: A Combined DFT and Experimental Investigation

Chemistry

• Iron(0) 100%
• Hydrosilylation 72%
• Triplet State Transition 62%
• Aldehyde 45%
• Density Functional Theory 40%
• Metathesis Reaction 32%
• Benzaldehyde 31%
• Silane 30%
• Metallocene 28%
• Catalyst 27%
• Electron Spin 27%
• Electronic State 23%
• Alkene 23%
• Chemical Transformation 20%
• Hydrogen 16%
• Reduction 14%
• Ligand 14%

Physics & Astronomy

• aldehydes 93%
• density functional theory 49%
• iron 46%
• metathesis 21%
• imines 18%
• alkenes 16%
• ethers 14%
• silanes 14%
• ligands 13%
• reactivity 12%
• crossovers 11%
• tuning 9%
• electronic structure 9%
• activation energy 9%
• products 8%
• hydrogen 7%